SCHEMBL78464

SCHEMBL78464

CCOC(=O)/C=C/CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
HCAR2 Q8TDS4 1/20 0.43
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.38
TTR P02766 1/20 0.36
DPP4 P27487 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
MLYCD O95822 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MDM2 Q00987 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5702811 0.84 MAPT (0.49) MAPTHCAR2ALDH1A1RAB9ATTR
SCHEMBL5702812 0.84 MAPT (0.49) MAPTHCAR2ALDH1A1RAB9ATTR
SCHEMBL12147875 0.83 HCAR2 (0.41) HCAR2RAB9ATTR
SCHEMBL2631175 0.83 MAPT (0.55) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL7698911 0.79 MAPT (0.38) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL7698913 0.79 MAPT (0.38) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL446870 0.79 GABRR1 (0.35) HCAR2NPSR1LMNA
SCHEMBL66993 0.79 GABRR1 (0.35) HCAR2NPSR1LMNA
SCHEMBL66994 0.79 GABRR1 (0.35) HCAR2NPSR1LMNA
SCHEMBL8263914 0.79 BACE1 (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
WO-2014140989-A2 COMBINATION OF AN EGFR T790M INHIBITOR AND AN EGFR INHIBITOR FOR THE TREATMENT OF NON-SMALL CELL LUNG CANCER PFIZER INC. (US) 2014-09-18 WO disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
WO-2013042006-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. (US) 2013-03-28 WO disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS MAPT 4548/4885HCAR2 3971/4885ALDH1A1 2264/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS MAPT 4548/4885HCAR2 3971/4885ALDH1A1 2264/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.